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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Mannan-binding lectin serine protease 2' and Ligand = 'BDBM645098'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mannan-binding lectin serine protease 2


(Rat)
BDBM645098
PNG
(US20240010684, Ex. No 75)
Show SMILES CC[C@H](C)[C@@H]1CC(=O)CCCCNC(=O)CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCCCC4N3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC2(C)C)NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.40n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Mannan-binding lectin serine protease 2


(Homo sapiens)
BDBM645098
PNG
(US20240010684, Ex. No 75)
Show SMILES CC[C@H](C)[C@@H]1CC(=O)CCCCNC(=O)CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H]2NC(=O)[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCCCC4N3C(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC2(C)C)NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(N)=O |r|
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 14n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair